Glycoside
...
GD021817

Name:
None

Formula:
C38H49O13N4F13

Smiles:
O=C(CCc1c[nH]c2ccccc12)NCCCCC(NC(=O)[C@H](O)[C@H](O)[C@H](C[C@H](O)CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Aglycone:
CC(O)CO.[NH]C(CCCCNC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Sugarmoiety:
O=CC(O)C(O)COC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 12 FractionCSP3: 0.71
AlogP: 0.77 Num_rotatable_bonds: 26
MolWt: 1016.8 Num_heavy_atoms: 68
TPSA: 283.39 NumAromaticRings: 2

Unique Aglycone
AD05567
Formula: C3H8O2

Smiles:
CC(O)CO
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.64 Num_rotatable_bonds: 1
MolWt: 76.09 Num_heavy_atoms: 5
TPSA: 40.46 NumAromaticRings: 0
AD14857
Formula: C25H26O2N4F13

Smiles:
[NH]C(CCCCNC(=O)CCc1c[nH]c2ccccc12)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.6
AlogP: 6.28 Num_rotatable_bonds: 16
MolWt: 661.48 Num_heavy_atoms: 44
TPSA: 97.79 NumAromaticRings: 2

Sugarmoiety
SD01167

O=CC(O)C(O)COC1OC(CO)C(O)C(O)C1O